Three-dimensional molecule editing techniques and structural optimization using semiempirical
PM7 Hamiltonian , and molecular docking were used to predict in silico the interaction energy between Ops pesticides and fullerene derivatives, designed based on AChE active site, as target to the organophosphates compounds, to describe in molecular level the interaction of Ops with proposed molecules.
All of the geometry optimizations were performed by semiempirical
PM6 [28, 29], ab initio Hartree-Fock (HF/6-31Gdp) and density functional theory (DFT) M06-2X/6-31Gd methods  in the gas phase.
So far, many empirical, semiempirical
, and theoretical equations for description of viscosity as a function of stress or much more frequently of strain-rate have been proposed.
SilviScan predicts MO[E.sub.ss] using a semiempirical
model from density and X-ray diffractometry signals (Evans 1994, 2006).
There are, in principle, three approaches to this issue: experimental, numerical, and semiempirical
. These methods vary in difficulty, reliability of the obtained results, time and resources required, and so on.
For the purpose of this paper, we only describe the simplest model for unlimited growth (exponential) and three semiempirical
models for limited growth.
Using these compiled results of the analysis, a semiempirical
correlation can be developed to account for the changes in the actual evaporation area of the molten salts in small cylindrical containers.
In 1987, Pacejka and Bakker established a semiempirical
tire model that can accurately calculate the lateral force and aligning moment, which is one of the findings of the cooperation project between TU Delft and Volvo .
Wang  proposed a semiempirical
algorithm which has the objective to estimate the wave height from Envisat ASAR wave mode imagery without any prior knowledge.
calculations show that the thermodynamic equilibrium in (5) is a spontaneous process ([DELTA]G[degrees] < 0) and is thermodynamically probable.
Based on the experimental observations, a semiempirical
equation of the Forchheimer's coefficients A and B dependent on hydraulic aperture and roughness was proposed.